
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms   87 (  616),  selected   87 , name one
# Molecule2: number of CA atoms   87 (  616),  selected   87 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    87       1_A - 87_A        2.07     2.07
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       2_A - 87_A        1.33     2.10
  LCS_AVERAGE:     97.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    85       3_A - 87_A        0.96     2.15
  LCS_AVERAGE:     95.56

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   87
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     G     1_A     G     1_A      4    4   87      3    3    4    5    5    6    6    7    8    9   10   13   33   33   36   68   71   87   87   87 
LCS_GDT     S     2_A     S     2_A      4   86   87      3    3    4    5    5   26   38   59   83   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     3_A     A     3_A     85   86   87      3    3    4    5    5    6   13   29   69   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D     4_A     D     4_A     85   86   87     65   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L     5_A     L     5_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A     6_A     A     6_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H     7_A     H     7_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G     8_A     G     8_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K     9_A     K     9_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    10_A     A    10_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    11_A     I    11_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    12_A     F    12_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    13_A     A    13_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    14_A     G    14_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    15_A     N    15_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    16_A     C    16_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    17_A     A    17_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    18_A     A    18_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     C    19_A     C    19_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     H    20_A     H    20_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    21_A     N    21_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    22_A     G    22_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    23_A     G    23_A     85   86   87     67   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    24_A     L    24_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    25_A     N    25_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    26_A     A    26_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    27_A     I    27_A     85   86   87     61   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    28_A     N    28_A     85   86   87     57   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    29_A     P    29_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    30_A     S    30_A     85   86   87     47   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    31_A     K    31_A     85   86   87     47   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    32_A     T    32_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    33_A     L    33_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    34_A     K    34_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    35_A     M    35_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    36_A     A    36_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    37_A     D    37_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    38_A     L    38_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    39_A     E    39_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    40_A     A    40_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    41_A     N    41_A     85   86   87     24   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    42_A     G    42_A     85   86   87     24   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    43_A     K    43_A     85   86   87     24   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    44_A     N    44_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    45_A     S    45_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    46_A     V    46_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    47_A     A    47_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    48_A     A    48_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    49_A     I    49_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    50_A     V    50_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    51_A     A    51_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    52_A     Q    52_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    53_A     I    53_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     T    54_A     T    54_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    55_A     N    55_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    56_A     G    56_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     N    57_A     N    57_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    58_A     G    58_A     85   86   87     22   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    59_A     A    59_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    60_A     M    60_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     P    61_A     P    61_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    62_A     G    62_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     F    63_A     F    63_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    64_A     K    64_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    65_A     G    65_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     R    66_A     R    66_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     I    67_A     I    67_A     85   86   87     12   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    68_A     S    68_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    69_A     D    69_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     S    70_A     S    70_A     85   86   87     67   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    71_A     D    71_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     M    72_A     M    72_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    73_A     E    73_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    74_A     D    74_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    75_A     V    75_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    76_A     A    76_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    77_A     A    77_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Y    78_A     Y    78_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     V    79_A     V    79_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     L    80_A     L    80_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     D    81_A     D    81_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     Q    82_A     Q    82_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     A    83_A     A    83_A     85   86   87     68   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     E    84_A     E    84_A     85   86   87     39   81   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     K    85_A     K    85_A     85   86   87     27   79   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     G    86_A     G    86_A     85   86   87      3   74   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_GDT     W    87_A     W    87_A     85   86   87     15   73   84   84   84   84   84   84   84   86   86   86   86   86   86   86   86   87   87   87 
LCS_AVERAGE  LCS_A:  97.78  (  95.56   97.77  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     68     81     84     84     84     84     84     84     84     86     86     86     86     86     86     86     86     87     87     87 
GDT PERCENT_AT  78.16  93.10  96.55  96.55  96.55  96.55  96.55  96.55  96.55  98.85  98.85  98.85  98.85  98.85  98.85  98.85  98.85 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.37   0.47   0.47   0.47   0.47   0.47   0.47   0.47   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   2.07   2.07   2.07
GDT RMS_ALL_AT   2.18   2.18   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.10   2.07   2.07   2.07

# Checking swapping
#   possible swapping detected:  D     4_A      D     4_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  Y    78_A      Y    78_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.982     0    0.079   0.079    18.148    0.000    0.000
LGA    S     2_A      S     2_A     9.079     0    0.042   0.183    11.468    1.786    4.524
LGA    A     3_A      A     3_A     7.876     0    0.637   0.596     9.465   14.881   12.190
LGA    D     4_A      D     4_A     0.628     0    0.578   1.336     5.556   85.119   64.167
LGA    L     5_A      L     5_A     0.385     0    0.095   0.119     0.493  100.000  100.000
LGA    A     6_A      A     6_A     0.522     0    0.045   0.054     0.671   95.238   94.286
LGA    H     7_A      H     7_A     0.475     0    0.058   1.142     2.381  100.000   86.476
LGA    G     8_A      G     8_A     0.323     0    0.045   0.045     0.439  100.000  100.000
LGA    K     9_A      K     9_A     0.285     0    0.024   0.076     0.515  100.000   98.942
LGA    A    10_A      A    10_A     0.400     0    0.044   0.054     0.495  100.000  100.000
LGA    I    11_A      I    11_A     0.275     0    0.024   0.650     2.541  100.000   94.643
LGA    F    12_A      F    12_A     0.172     0    0.011   0.135     0.486  100.000  100.000
LGA    A    13_A      A    13_A     0.217     0    0.026   0.036     0.328  100.000  100.000
LGA    G    14_A      G    14_A     0.280     0    0.022   0.022     0.382  100.000  100.000
LGA    N    15_A      N    15_A     0.306     0    0.023   0.046     0.568  100.000   98.810
LGA    C    16_A      C    16_A     0.180     0    0.061   0.105     0.429  100.000  100.000
LGA    A    17_A      A    17_A     0.118     0    0.025   0.040     0.341  100.000  100.000
LGA    A    18_A      A    18_A     0.472     0    0.042   0.039     0.696   97.619   96.190
LGA    C    19_A      C    19_A     0.309     0    0.029   0.086     0.675   97.619   95.238
LGA    H    20_A      H    20_A     0.287     0    0.100   0.094     0.417  100.000  100.000
LGA    N    21_A      N    21_A     0.568     0    0.036   0.263     1.148   95.238   90.595
LGA    G    22_A      G    22_A     0.380     0    0.016   0.016     0.644   97.619   97.619
LGA    G    23_A      G    23_A     0.491     0    0.055   0.055     0.491  100.000  100.000
LGA    L    24_A      L    24_A     0.261     0    0.080   0.164     0.638  100.000   97.619
LGA    N    25_A      N    25_A     0.244     0    0.012   0.097     0.365  100.000  100.000
LGA    A    26_A      A    26_A     0.253     0    0.139   0.141     0.767   97.619   98.095
LGA    I    27_A      I    27_A     0.587     0    0.032   0.610     1.830   92.857   89.464
LGA    N    28_A      N    28_A     0.600     0    0.037   0.050     0.959   90.476   90.476
LGA    P    29_A      P    29_A     0.594     0    0.011   0.032     0.774   90.476   90.476
LGA    S    30_A      S    30_A     0.794     0    0.069   0.076     1.090   90.476   88.968
LGA    K    31_A      K    31_A     0.624     0    0.030   0.468     1.921   95.238   88.624
LGA    T    32_A      T    32_A     0.322     0    0.010   0.033     0.404  100.000  100.000
LGA    L    33_A      L    33_A     0.127     0    0.012   0.078     0.247  100.000  100.000
LGA    K    34_A      K    34_A     0.227     0    0.011   0.619     3.051  100.000   92.328
LGA    M    35_A      M    35_A     0.203     0    0.055   0.067     0.218  100.000  100.000
LGA    A    36_A      A    36_A     0.163     0    0.025   0.032     0.217  100.000  100.000
LGA    D    37_A      D    37_A     0.151     0    0.000   0.064     0.296  100.000  100.000
LGA    L    38_A      L    38_A     0.315     0    0.033   0.055     0.480  100.000  100.000
LGA    E    39_A      E    39_A     0.270     0    0.055   1.006     3.251   97.619   79.947
LGA    A    40_A      A    40_A     0.288     0    0.024   0.025     0.506   97.619   98.095
LGA    N    41_A      N    41_A     0.583     0    0.025   0.066     0.748   92.857   92.857
LGA    G    42_A      G    42_A     0.620     0    0.018   0.018     0.707   90.476   90.476
LGA    K    43_A      K    43_A     0.629     0    0.059   0.120     1.425   90.476   88.466
LGA    N    44_A      N    44_A     0.201     0    0.167   0.161     0.947   97.619   95.238
LGA    S    45_A      S    45_A     0.199     0    0.045   0.086     0.388  100.000  100.000
LGA    V    46_A      V    46_A     0.287     0    0.043   0.074     0.462  100.000  100.000
LGA    A    47_A      A    47_A     0.173     0    0.014   0.023     0.265  100.000  100.000
LGA    A    48_A      A    48_A     0.199     0    0.017   0.028     0.359  100.000  100.000
LGA    I    49_A      I    49_A     0.197     0    0.052   0.071     0.336  100.000  100.000
LGA    V    50_A      V    50_A     0.069     0    0.078   0.076     0.244  100.000  100.000
LGA    A    51_A      A    51_A     0.263     0    0.036   0.034     0.492  100.000  100.000
LGA    Q    52_A      Q    52_A     0.281     0    0.003   0.151     0.755  100.000   96.825
LGA    I    53_A      I    53_A     0.169     0    0.030   0.051     0.428  100.000  100.000
LGA    T    54_A      T    54_A     0.216     0    0.017   0.074     0.345  100.000  100.000
LGA    N    55_A      N    55_A     0.253     0    0.020   0.108     0.379  100.000  100.000
LGA    G    56_A      G    56_A     0.306     0    0.022   0.022     0.306  100.000  100.000
LGA    N    57_A      N    57_A     0.221     0    0.065   0.170     0.531  100.000   98.810
LGA    G    58_A      G    58_A     0.834     0    0.066   0.066     0.834   90.476   90.476
LGA    A    59_A      A    59_A     0.271     0    0.087   0.103     0.500   97.619   98.095
LGA    M    60_A      M    60_A     0.286     0    0.020   0.189     0.508  100.000   98.810
LGA    P    61_A      P    61_A     0.297     0    0.026   0.029     0.340  100.000  100.000
LGA    G    62_A      G    62_A     0.319     0    0.065   0.065     0.541   97.619   97.619
LGA    F    63_A      F    63_A     0.212     0    0.040   0.053     0.378  100.000  100.000
LGA    K    64_A      K    64_A     0.312     0    0.040   0.565     2.486  100.000   92.169
LGA    G    65_A      G    65_A     0.412     0    0.036   0.036     0.412  100.000  100.000
LGA    R    66_A      R    66_A     0.343     0    0.082   1.065     3.337  100.000   86.364
LGA    I    67_A      I    67_A     0.628     0    0.106   1.093     2.843   95.238   83.155
LGA    S    68_A      S    68_A     0.124     0    0.026   0.057     0.248  100.000  100.000
LGA    D    69_A      D    69_A     0.168     0    0.008   0.232     0.638  100.000   98.810
LGA    S    70_A      S    70_A     0.477     0    0.031   0.680     2.059   97.619   90.952
LGA    D    71_A      D    71_A     0.481     0    0.024   0.267     1.333   97.619   92.917
LGA    M    72_A      M    72_A     0.429     0    0.020   0.259     0.976  100.000   98.810
LGA    E    73_A      E    73_A     0.428     0    0.032   0.704     2.699  100.000   88.148
LGA    D    74_A      D    74_A     0.338     0    0.003   0.036     0.516  100.000   98.810
LGA    V    75_A      V    75_A     0.374     0    0.031   1.088     2.295  100.000   88.571
LGA    A    76_A      A    76_A     0.351     0    0.010   0.028     0.463  100.000  100.000
LGA    A    77_A      A    77_A     0.292     0    0.042   0.052     0.373  100.000  100.000
LGA    Y    78_A      Y    78_A     0.198     0    0.011   0.058     0.286  100.000  100.000
LGA    V    79_A      V    79_A     0.224     0    0.015   0.034     0.268  100.000  100.000
LGA    L    80_A      L    80_A     0.268     0    0.063   0.196     0.497  100.000  100.000
LGA    D    81_A      D    81_A     0.381     0    0.038   0.134     1.264   97.619   92.976
LGA    Q    82_A      Q    82_A     0.255     0    0.020   0.993     2.566  100.000   92.222
LGA    A    83_A      A    83_A     0.220     0    0.014   0.017     0.282  100.000  100.000
LGA    E    84_A      E    84_A     0.640     0    0.042   1.189     4.916   92.857   73.280
LGA    K    85_A      K    85_A     1.155     0    0.083   0.917     2.190   85.952   81.852
LGA    G    86_A      G    86_A     1.567     0    0.428   0.428     3.880   65.595   65.595
LGA    W    87_A      W    87_A     1.760     0    0.084   1.026     4.666   57.262   64.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       87     348    348  100.00     616    616  100.00                87
SUMMARY(RMSD_GDC):     2.073          2.063                  1.851           94.074   91.774

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   87   87    4.0     84    0.47    96.264    97.153    14.792

LGA_LOCAL      RMSD:   0.468  Number of atoms:   84  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.193  Number of assigned atoms:   87 
Std_ASGN_ATOMS RMSD:   2.073  Standard rmsd on all 87 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.943524 * X  +   0.326275 * Y  +   0.057501 * Z  +   9.116253
  Y_new =   0.106413 * X  +   0.134094 * Y  +   0.985238 * Z  +  29.205965
  Z_new =   0.313748 * X  +   0.935715 * Y  +  -0.161241 * Z  +  86.855682 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.029284 -0.319138  1.741439   [DEG:  173.5652  -18.2853   99.7771 ]
ZXZ:  3.083296  1.732745  0.323522   [DEG:  176.6599   99.2790   18.5365 ]
 
# END of job
